Summary

Molecular formula: C17H12O6
SMILES: Oc1ccc(cc1)C1(O)C(=O)C=C(C1=O)c1ccc(c(c1)O)O
InChI: InChI=1S/C17H12O6/c18-11-4-2-10(3-5-11)17(23)15(21)8-12(16(17)22)9-1-6-13(19)14(20)7-9/h1-8,18-20,23H
InChIKey: PUKDKINDUPUZLE-UHFFFAOYSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C(c2ccccc2)C(=O)C1c1ccccc1

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)C(O)C1C1CCCCC1

Scaffold Graph level:
CC1CC(C2CCCCC2)C(C)C1C1CCCCC1

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Chemical classification

Kingdom: Organic compounds
Super class: Benzenoids
Class: Phenols
Sub class: Benzenediols

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Synonymous chemical names:
involutone

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External chemical identifiers:
CID_101237041; NPATLAS_NPA009582; CHEMSPIDER_78434845

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Chemical structure download